Inerminoside A1
TL;DR: Inerminoside A1 (CAS 19178-73-5) is a chemical compound with molecular formula C21H32O14 and molecular weight 508.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Also Known As: Inerminoside A1, KST-1B1347, 2'-O-(beta-D-Apiofuranosyl)mussaenosidic acid, 1-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid, 1-({2-o-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
| Molecular Formula | C21H32O14 |
|---|---|
| Molecular Weight | 508.18 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.1792 |
| Heavy Atoms | 35 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 19178-73-5 |
|---|---|
| SMILES | CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(CO)O)O)O |
| InChIKey | AMVJBPWDFCUNOH-UHFFFAOYSA-N |
Product Overview
Inerminoside A1 (CAS 19178-73-5), with molecular formula C21H32O14 and molecular weight 508.18 g/mol. IUPAC: 1-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of Inerminoside A1
Property Insights of Inerminoside A1
The XLogP value of -3.2 indicates that Inerminoside A1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting Inerminoside A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inerminoside A1 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Inerminoside A1?
The CAS number of Inerminoside A1 is 19178-73-5.
What is the molecular formula of Inerminoside A1?
The molecular formula of Inerminoside A1 is C21H32O14.
What is the molecular weight of Inerminoside A1?
The molecular weight of Inerminoside A1 is 508.18 g/mol.
Where can I buy Inerminoside A1?
You can request a quote for Inerminoside A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inerminoside A1?
Yes, KEHONG BIO provides custom synthesis services for Inerminoside A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.